O-(2,2-dimethylpropyl)hydroxylamine hydrochloride

• ChemBase ID: 248705
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: C(CON)(C)(C)C.Cl
• Canonical SMILES: NOCC(C)(C)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-5(2,3)4-7-6;/h4,6H2,1-3H3;1H
• InChIKey: NNOXCPGCDWRACS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(2,2-dimethylpropyl)hydroxylamine hydrochloride
• IUPAC Traditional name: O-(2,2-dimethylpropyl)hydroxylamine hydrochloride
• Synonyms: O-(2,2-dimethylpropyl)hydroxylamine hydrochloride

Database IDs

• MDL Number: MFCD09880037
• PubChem SID: 164304615
• PubChem CID: 23103182

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2269131
• LogD (pH = 7.4): 1.2593389
• Log P: 1.2597684
• Molar Refractivity: 30.4733 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.803

Product Information

• Purity: 95%